SCHEMBL3572216

SCHEMBL3572216

COCCCCC1(N(C)C)CCC2(CC1)NCCc1c2[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.66
OGFRL1 Q5TC84 5/20 0.66
OPRL1 P41146 2/20 0.58
LMNA P02545 1/20 0.54
KMT2A Q03164 2/20 0.50
CFTR P13569 10/20 0.43
CDK8 P49336 1/20 0.41
NTRK3 Q16288 1/20 0.41
MEN1 O00255 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3563012 0.97 OPRM1 (0.67) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL733564 0.87 OPRM1 (0.71) OPRM1OGFRL1OPRL1LMNAKMT2A
Citric Acid SCHEMBL4434760 0.87 OPRM1 (0.56) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL3564418 0.82 OPRM1 (0.77) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL1304962 0.82 OPRM1 (0.80) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL3575847 0.81 OPRM1 (0.59) OPRM1OGFRL1OPRL1
SCHEMBL682338 0.80 OPRM1 (1.00) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL3560574 0.78 OPRM1 (0.60) OPRM1OGFRL1OPRL1
SCHEMBL10051500 0.75 LMNA (0.69) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL10051501 0.75 LMNA (0.69) OPRM1OGFRL1OPRL1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP claimed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US claimed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 EP disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048554-A1 Spirocyclic Cyclohexane Compounds OPRL1, OPRD1, OPRK1 OPRM1 4/4885OGFRL1 5/4885OPRL1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.